(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoyl]amino]hexanoic acid
Molecular Formula:
C47H78N14O21
InChI: InChI=1/C47H78N14O21/c1-6-19(3)36(45(79)58-27(17-33(68)69)41(75)53-22(11-12-32(66)67)38(72)54-23(47(81)82)10-8-9-13-48)60-43(77)26(16-31(51)65)57-40(74)24(14-29(49)63)55-39(73)25(15-30(50)64)56-42(76)28(18-34(70)71)59-46(80)37(20(4)7-2)61-44(78)35(52)21(5)62/h19-28,35-37,62H,6-18,48,52H2,1-5H3,(H2,49,63)(H2,50,64)(H2,51,65)(H,53,75)(H,54,72)(H,55,73)(H,56,76)(H,57,74)(H,58,79)(H,59,80)(H,60,77)(H,61,78)(H,66,67)(H,68,69)(H,70,71)(H,81,82)/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,35-,36-,37-/m0/s1/f/h53-61,66,68,70,81H,49-51H2
InChIKey: InChIKey=UHHAJEIJBKGOGH-KWPDWJNKDM
SMILES: CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)N
Names:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoyl]amino]hexanoic acid
Registries:
PubChem CID 11658187
PubChem ID 16761641
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